(2S)-2-(diethylamino)-2-phenyl-1-[(2S)-2-[4-(4-phenylphenyl)-3H-pyrrol-2-yl]pyrrolidin-1-yl]ethanone

C32H35N3O — CID 153211432

IUPAC(2S)-2-(diethylamino)-2-phenyl-1-[(2S)-2-[4-(4-phenylphenyl)-3H-pyrrol-2-yl]pyrrolidin-1-yl]ethanone
SMILESCCN(CC)[C@H](C(=O)N1CCC[C@H]1C1=NC=C(c2ccc(-c3ccccc3)cc2)C1)c1ccccc1
InChIInChI=1S/C32H35N3O/c1-3-34(4-2)31(27-14-9-6-10-15-27)32(36)35-21-11-16-30(35)29-22-28(23-33-29)26-19-17-25(18-20-26)24-12-7-5-8-13-24/h5-10,12-15,17-20,23,30-31H,3-4,11,16,21-22H2,1-2H3/t30-,31-/m0/s1
InChIKeyWLWHLKSLBUZVCT-CONSDPRKSA-N
MW477.65 g/mol
LogP6.61
Rot. Bonds8

About (2S)-2-(diethylamino)-2-phenyl-1-[(2S)-2-[4-(4-phenylphenyl)-3H-pyrrol-2-yl]pyrrolidin-1-yl]ethanone

(2S)-2-(diethylamino)-2-phenyl-1-[(2S)-2-[4-(4-phenylphenyl)-3H-pyrrol-2-yl]pyrrolidin-1-yl]ethanone (PubChem CID 153211432) has the molecular formula C32H35N3O and a molecular weight of 477.65 g/mol. Its IUPAC name is (2S)-2-(diethylamino)-2-phenyl-1-[(2S)-2-[4-(4-phenylphenyl)-3H-pyrrol-2-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name(2S)-2-(diethylamino)-2-phenyl-1-[(2S)-2-[4-(4-phenylphenyl)-3H-pyrrol-2-yl]pyrrolidin-1-yl]ethanone
PubChem CID153211432
Molecular FormulaC32H35N3O
Molecular Weight477.65 g/mol
Exact Mass477.28
IUPAC Name(2S)-2-(diethylamino)-2-phenyl-1-[(2S)-2-[4-(4-phenylphenyl)-3H-pyrrol-2-yl]pyrrolidin-1-yl]ethanone
SMILESCCN(CC)[C@H](C(=O)N1CCC[C@H]1C1=NC=C(c2ccc(-c3ccccc3)cc2)C1)c1ccccc1
InChIInChI=1S/C32H35N3O/c1-3-34(4-2)31(27-14-9-6-10-15-27)32(36)35-21-11-16-30(35)29-22-28(23-33-29)26-19-17-25(18-20-26)24-12-7-5-8-13-24/h5-10,12-15,17-20,23,30-31H,3-4,11,16,21-22H2,1-2H3/t30-,31-/m0/s1
InChIKeyWLWHLKSLBUZVCT-CONSDPRKSA-N
XLogP6.61
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.65
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Phenyl-1-(1-phenyl-2-pyrrolidin-1-yl-ethyl)-1H-pyrazin-2-one
CID 44269766
(2R)-1-[(2S,4S)-4-fluoro-2-[4-[4-[4-[2-[(2S,4S)-4-fluoro-1-[(2R)-2-phenyl-2-piperidin-1-ylacetyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-2-phenyl-2-piperidin-1-ylethanone
CID 58490324
tert-butyl (2S,4S)-2-[4-[4-[4-[2-[(2S,4S)-1-[(2R)-2-(diethylamino)-2-phenylacetyl]-4-fluoropyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]-4-fluoropyrrolidine-1-carboxylate
CID 58490390
(2R)-2-(diethylamino)-1-[(2S,4S)-2-[4-[4-[4-[2-[(2S,4S)-1-[(2R)-2-(diethylamino)-2-phenylacetyl]-4-fluoropyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]-4-fluoropyrrolidin-1-yl]-2-phenylethanone
CID 58490474
(2R)-2-(dimethylamino)-1-[(2S,4S)-4-fluoro-2-[4-[4-[4-[2-[(2S,4S)-4-fluoropyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-2-phenylethanone
CID 58490737
(2R)-2-(dimethylamino)-1-[(2S,4S)-2-[4-[4-[4-[2-[(2S,4S)-1-[(2R)-2-(dimethylamino)-2-phenylacetyl]-4-fluoropyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]-4-fluoropyrrolidin-1-yl]-2-phenylethanone
CID 58490773
(2R)-2-(diethylamino)-1-[(2S,4R)-2-[4-[4-[4-[2-[(2S,4R)-1-[(2R)-2-(diethylamino)-2-phenylacetyl]-4-fluoropyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]-4-fluoropyrrolidin-1-yl]-2-phenylethanone
CID 58490800
(2R)-1-[(2S)-2-[4-[4-[4-[2-[(2S)-1-[2-(2-fluorophenyl)acetyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-2-phenyl-2-piperidin-1-ylethanone
CID 58490802
(2R)-1-[(2S)-2-[4-[4-[4-[2-[(2S)-1-[2-(3-fluorophenyl)acetyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-2-phenyl-2-piperidin-1-ylethanone
CID 58490884
2-(dimethylamino)-1-[(2S,4S)-4-fluoro-2-[4-[4-[4-[2-[(2S,4S)-4-fluoropyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]-2-phenylethanone
CID 161873186
1,4-Dibenzyl-3-(4-methylphenyl)piperazin-2-one
CID 162409538
(3aS,6R,6aR)-4-benzyl-2,3a-dimethyl-6,6a-diphenyl-3,6-dihydropyrrolo[3,2-b]pyrrol-5-one
CID 11731983

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(diethylamino)-2-phenyl-1-[(2S)-2-[4-(4-phenylphenyl)-3H-pyrrol-2-yl]pyrrolidin-1-yl]ethanone?
The IUPAC name of (2S)-2-(diethylamino)-2-phenyl-1-[(2S)-2-[4-(4-phenylphenyl)-3H-pyrrol-2-yl]pyrrolidin-1-yl]ethanone (CID 153211432) is (2S)-2-(diethylamino)-2-phenyl-1-[(2S)-2-[4-(4-phenylphenyl)-3H-pyrrol-2-yl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for (2S)-2-(diethylamino)-2-phenyl-1-[(2S)-2-[4-(4-phenylphenyl)-3H-pyrrol-2-yl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for (2S)-2-(diethylamino)-2-phenyl-1-[(2S)-2-[4-(4-phenylphenyl)-3H-pyrrol-2-yl]pyrrolidin-1-yl]ethanone is CCN(CC)[C@H](C(=O)N1CCC[C@H]1C1=NC=C(c2ccc(-c3ccccc3)cc2)C1)c1ccccc1.
What is the InChIKey of (2S)-2-(diethylamino)-2-phenyl-1-[(2S)-2-[4-(4-phenylphenyl)-3H-pyrrol-2-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is WLWHLKSLBUZVCT-CONSDPRKSA-N. The full InChI is InChI=1S/C32H35N3O/c1-3-34(4-2)31(27-14-9-6-10-15-27)32(36)35-21-11-16-30(35)29-22-28(23-33-29)26-19-17-25(18-20-26)24-12-7-5-8-13-24/h5-10,12-15,17-20,23,30-31H,3-4,11,16,21-22H2,1-2H3/t30-,31-/m0/s1.
What are the key properties of (2S)-2-(diethylamino)-2-phenyl-1-[(2S)-2-[4-(4-phenylphenyl)-3H-pyrrol-2-yl]pyrrolidin-1-yl]ethanone?
(2S)-2-(diethylamino)-2-phenyl-1-[(2S)-2-[4-(4-phenylphenyl)-3H-pyrrol-2-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 477.65 g/mol, XLogP of 6.61, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(diethylamino)-2-phenyl-1-[(2S)-2-[4-(4-phenylphenyl)-3H-pyrrol-2-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 153211432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).